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124016-47-3 | 1H-Isoindole-1,3(2H)-dione, 2-[[2-(bromomethyl)phenyl]methyl]-
CAS No: 124016-47-3 Catalog No: AG000LEI MDL No:
Product Description
Catalog Number:
AG000LEI
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[2-(bromomethyl)phenyl]methyl]-
CAS Number:
124016-47-3
Molecular Formula:
C16H12BrNO2
Molecular Weight:
330.1760
IUPAC Name:
2-[[2-(bromomethyl)phenyl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H12BrNO2/c17-9-11-5-1-2-6-12(11)10-18-15(19)13-7-3-4-8-14(13)16(18)20/h1-8H,9-10H2
InChI Key:
YASNOOXSTVLJSK-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.181g/mol
Monoisotopic Mass:
329.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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